ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C23H24N2O2S2/c1-4-16-13-9-10-15(3)20(16)24-23(28)25-21-18(22(26)27-5-2)14-19(29-21)17-11-7-6-8-12-17/h6-14H,4-5H2,1-3H3,(H2,24,25,28)